tetramethyl 1-(4-methylphenyl)-4-phenyl-4H-pyridine-2,3,5,6-tetracarboxylate

C26H25NO8 — CID 53473534

IUPACtetramethyl 1-(4-methylphenyl)-4-phenyl-4H-pyridine-2,3,5,6-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccc(C)cc2)C(C(=O)OC)=C(C(=O)OC)C1c1ccccc1
InChIInChI=1S/C26H25NO8/c1-15-11-13-17(14-12-15)27-21(25(30)34-4)19(23(28)32-2)18(16-9-7-6-8-10-16)20(24(29)33-3)22(27)26(31)35-5/h6-14,18H,1-5H3
InChIKeyIARXPLBUHJCOTL-UHFFFAOYSA-N
MW479.49 g/mol
LogP2.80
Rot. Bonds6

About tetramethyl 1-(4-methylphenyl)-4-phenyl-4H-pyridine-2,3,5,6-tetracarboxylate

tetramethyl 1-(4-methylphenyl)-4-phenyl-4H-pyridine-2,3,5,6-tetracarboxylate (PubChem CID 53473534) has the molecular formula C26H25NO8 and a molecular weight of 479.49 g/mol. Its IUPAC name is tetramethyl 1-(4-methylphenyl)-4-phenyl-4H-pyridine-2,3,5,6-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl 1-(4-methylphenyl)-4-phenyl-4H-pyridine-2,3,5,6-tetracarboxylate
PubChem CID53473534
Molecular FormulaC26H25NO8
Molecular Weight479.49 g/mol
Exact Mass479.16
IUPAC Nametetramethyl 1-(4-methylphenyl)-4-phenyl-4H-pyridine-2,3,5,6-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccc(C)cc2)C(C(=O)OC)=C(C(=O)OC)C1c1ccccc1
InChIInChI=1S/C26H25NO8/c1-15-11-13-17(14-12-15)27-21(25(30)34-4)19(23(28)32-2)18(16-9-7-6-8-10-16)20(24(29)33-3)22(27)26(31)35-5/h6-14,18H,1-5H3
InChIKeyIARXPLBUHJCOTL-UHFFFAOYSA-N
XLogP2.80
TPSA108.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

3,5-Diethyl 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 1116133
3,5-Dimethyl 4-[4-(diethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 653396
3,5-Pyridinedicarboxylic acid, 4-(4-(acetylamino)phenyl)-1,4-dihydro-2,6-dimethyl-, dimethyl ester
CID 356261
Dimethyl 2-(4-fluorophenyl)-6-methyl-4-(4-toluidino)-3,5-cyclohexadiene-1,3-dicarboxylate
CID 3384009
Dimethyl 4-[3-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 44306875
Diallyl 4-(4-(dimethylamino)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 2891565
3,5-Dimethyl 4-[4-(dimethylamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 646414
Ethyl 4-[4-(diethylamino)phenyl]-5-(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropy ridine-3-carboxylate
CID 1129001
ethyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate
CID 45483899
Ammonium, (p-(1,4-dihydro-3,5-diethoxycarbonyl-2,6-dimethyl-4-pyridyl)phenyl)trimethyl-, iodide
CID 48484
Ammonium, (p-(1,4-dihydro-3,5-dimethoxycarbonyl-2,6-dimethyl-4-pyridyl)phenyl)benzyldimethyl-, iodide
CID 48486
Ammonium, (p-(1,4-dihydro-3,5-dimethoxycarbonyl-2,6-dimethyl-4-pyridyl)phenyl)butyldimethyl-, iodide
CID 48488

Frequently Asked Questions

What is the IUPAC name of tetramethyl 1-(4-methylphenyl)-4-phenyl-4H-pyridine-2,3,5,6-tetracarboxylate?
The IUPAC name of tetramethyl 1-(4-methylphenyl)-4-phenyl-4H-pyridine-2,3,5,6-tetracarboxylate (CID 53473534) is tetramethyl 1-(4-methylphenyl)-4-phenyl-4H-pyridine-2,3,5,6-tetracarboxylate.
What is the SMILES notation for tetramethyl 1-(4-methylphenyl)-4-phenyl-4H-pyridine-2,3,5,6-tetracarboxylate?
The canonical SMILES for tetramethyl 1-(4-methylphenyl)-4-phenyl-4H-pyridine-2,3,5,6-tetracarboxylate is COC(=O)C1=C(C(=O)OC)N(c2ccc(C)cc2)C(C(=O)OC)=C(C(=O)OC)C1c1ccccc1.
What is the InChIKey of tetramethyl 1-(4-methylphenyl)-4-phenyl-4H-pyridine-2,3,5,6-tetracarboxylate?
The InChIKey is IARXPLBUHJCOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO8/c1-15-11-13-17(14-12-15)27-21(25(30)34-4)19(23(28)32-2)18(16-9-7-6-8-10-16)20(24(29)33-3)22(27)26(31)35-5/h6-14,18H,1-5H3.
What are the key properties of tetramethyl 1-(4-methylphenyl)-4-phenyl-4H-pyridine-2,3,5,6-tetracarboxylate?
tetramethyl 1-(4-methylphenyl)-4-phenyl-4H-pyridine-2,3,5,6-tetracarboxylate has a molecular weight of 479.49 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl 1-(4-methylphenyl)-4-phenyl-4H-pyridine-2,3,5,6-tetracarboxylate is sourced from PubChem (CID 53473534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).